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. 2017 Apr 24;8:15123. doi: 10.1038/ncomms15123

Table 1. Hit rates from fragment screens before and after use of PanDDA.

Protein JMJD2D BAZ2B SP100 BRD1
Data sets 226 200 116 292
Resolution range (Å) 1.1–2.6 1.5–2.5 1.3–2.7 1.5–3.6
Identified hits (Human/PanDDA) 2/24 3/9 0/2 29/40
Identified hit rate (%) (Human/PanDDA) 0.9/10.6 1.5/4.5 0/1.7 9.9/13.7
Identified sites (Human/PanDDA) 1/5 1/1 0/1 1/2

PanDDA, Pan-Data set Density Analysis.

All fragment screens consisted of a single soaked compound per data set. An identified site comprises more than two binding ligands that are not heavily interacting with crystal contacts. Number of hits was determined as number of data sets containing a bound ligand. Hit rate was calculated as percentage of data sets containing bound ligands.